5-amino-3-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C24H14N6OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C24H14N6OS
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c3nc(cccc4)c4s3)o2)c1C#N
InChI	InChI=1S/C24H14N6OS/c25-13-15(22-18(14-26)23(27)30(29-22)16-6-2-1-3-7-16)12-17-10-11-20(31-17)24-28-19-8-4-5-9-21(19)32-24/h1-12H,27H2
InChIK	QDXBVFLFEZWUGO-UHFFFAOYSA-N
TotalMolweight	434.482
Molweight	434.482
MonoisotopicMass	434.094979
CLogP	3.177
CLogS	-5.697
H Acceptors	7
H Donors	1
TotalSurfaceArea	336.14
Relative PSA	0.31436
PolarSurfaceArea	145.69
Druglikeness	0.49333
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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